1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea

C19H21N3O2 — CID 110775797

IUPAC1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
SMILESCN1C(=O)Cc2cc(CCNC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O2/c1-22-17-8-7-14(11-16(17)12-18(22)23)9-10-20-19(24)21-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H2,20,21,24)
InChIKeyQBOQOPSDULCYOR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.25
Rot. Bonds5

About 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea

1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea (PubChem CID 110775797) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
PubChem CID110775797
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
SMILESCN1C(=O)Cc2cc(CCNC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O2/c1-22-17-8-7-14(11-16(17)12-18(22)23)9-10-20-19(24)21-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H2,20,21,24)
InChIKeyQBOQOPSDULCYOR-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
CID 110788529
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110788570
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
2-(2-fluorophenoxy)-N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]acetamide
CID 110788587
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea (CID 110775797) is 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea is CN1C(=O)Cc2cc(CCNC(=O)NCc3ccccc3)ccc21.
What is the InChIKey of 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea?
The InChIKey is QBOQOPSDULCYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22-17-8-7-14(11-16(17)12-18(22)23)9-10-20-19(24)21-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea?
1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea has a molecular weight of 323.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea is sourced from PubChem (CID 110775797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).